Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 5/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4039701 | 0.86 | CYP11B2 (0.33) | ACVR1TGFBR1CYP11B2LCKBTK | |
| Trifluoroacetic Acid SCHEMBL4036264 | 0.79 | HTR2A (0.40) | BTKSLC2A1HTR2CHTR2A | |
| Trifluoroacetic Acid SCHEMBL4037873 | 0.78 | HTR2A (0.33) | HTR2CHTR2A | |
| SCHEMBL2157416 | 0.77 | CYP11B2 (0.41) | CYP11B2LCKBTKSIRT3TDP1 | |
| Trifluoroacetic Acid SCHEMBL4036958 | 0.76 | MKNK1 (0.36) | ABL1HTR2CHTR2ACYP1A2 | |
| SCHEMBL4040261 | 0.75 | MKNK1 (0.42) | CYP11B2HTR2CHTR2ACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL4036656 | 0.72 | MKNK1 (0.36) | CYP11B2TDP1HTR2CHTR2ACYP1A2 | |
| SCHEMBL4043737 | 0.72 | NR1H2 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL4037121 | 0.71 | CSNK1E (0.33) | HTR2CHTR2A | |
| Trifluoroacetic Acid SCHEMBL4043668 | 0.70 | MKNK1 (0.34) | HTR2CHTR2ACYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1463728-B1 | FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2009-01-14 | — | — | EP | disclosed |
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-1436291-A2 | INDOLIZINES AS KINASE PROTEIN INHIBITORS | Aventis Pharma S.A. (FR) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003024967-A2 | INDOLIZINES AS KINASE PROTEIN INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2003-03-27 | — | — | WO | disclosed |